X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2FCOMMON.CONTMAT;h=8e7e4ff133db1e1f66677ed9ac481736060c75e9;hb=b8621d392bf3be03d180598e133125736674d0e4;hp=e68136018d123cb8523ef5bdbe512d10c6a32f15;hpb=fb31d9cf50bce06dbfae62c92c11f3e9c836f405;p=unres.git diff --git a/source/unres/src-HCD-5D/COMMON.CONTMAT b/source/unres/src-HCD-5D/COMMON.CONTMAT index e681360..8e7e4ff 100644 --- a/source/unres/src-HCD-5D/COMMON.CONTMAT +++ b/source/unres/src-HCD-5D/COMMON.CONTMAT @@ -1,4 +1,6 @@ C Change 12/1/95 - common block CONTACTS1 included. + double precision facont,gacont + integer num_cont,jcont common /contacts1/ facont(maxconts,maxres), & gacont(3,maxconts,maxres), & num_cont(maxres),jcont(maxconts,maxres) @@ -17,8 +19,9 @@ C 12/26/95 - H-bonding contacts & facont_hb(maxconts,maxres),ees0p(maxconts,maxres), & ees0m(maxconts,maxres),d_cont(maxconts,maxres), & num_cont_hb(maxres),jcont_hb(maxconts,maxres) -C 9/23/99 Added improper rotation matrices and matrices of dipole-dipole -C interactions + double precision a_chuj,a_chuj_der + common /dipmat/ a_chuj(2,2,maxconts,maxres), + & a_chuj_der(2,2,3,5,maxconts,maxres) c 7/25/08 Commented out; not needed when cumulants used C Interactions of pseudo-dipoles generated by loc-el interactions. c double precision dip,dipderg,dipderx